2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol

C12H21NO — CID 115883205

IUPAC2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC1CC=CCC1
InChIInChI=1S/C12H21NO/c1-2-8-13(9-10-14)11-12-6-4-3-5-7-12/h2-4,12,14H,1,5-11H2
InChIKeyKDXGZHFNVMWWBM-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds6

About 2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol

2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol (PubChem CID 115883205) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol
PubChem CID115883205
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC1CC=CCC1
InChIInChI=1S/C12H21NO/c1-2-8-13(9-10-14)11-12-6-4-3-5-7-12/h2-4,12,14H,1,5-11H2
InChIKeyKDXGZHFNVMWWBM-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol (CID 115883205) is 2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)CC1CC=CCC1.
What is the InChIKey of 2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol?
The InChIKey is KDXGZHFNVMWWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-8-13(9-10-14)11-12-6-4-3-5-7-12/h2-4,12,14H,1,5-11H2.
What are the key properties of 2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol?
2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol has a molecular weight of 195.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohex-3-en-1-ylmethyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 115883205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).